2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C13H10ClF2N3O — CID 118246035

IUPAC2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N3O/c1-19-10(8-3-2-7(15)4-9(8)16)6-20-11-5-17-13(14)18-12(11)19/h2-5,10H,6H2,1H3
InChIKeyGFISSHBLGTZXIJ-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.98
Rot. Bonds1

About 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118246035) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118246035
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N3O/c1-19-10(8-3-2-7(15)4-9(8)16)6-20-11-5-17-13(14)18-12(11)19/h2-5,10H,6H2,1H3
InChIKeyGFISSHBLGTZXIJ-UHFFFAOYSA-N
XLogP2.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118246035) is 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CN1c2nc(Cl)ncc2OCC1c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is GFISSHBLGTZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c1-19-10(8-3-2-7(15)4-9(8)16)6-20-11-5-17-13(14)18-12(11)19/h2-5,10H,6H2,1H3.
What are the key properties of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 297.69 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118246035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).